Luyao Zou

Weakly Bound Clusters in Astrochemistry? Millimeter and Submillimeter Spectroscopy of trans-HO3 and Comparison to Astronomical Observations.

The emergence of chemical complexity during star and planet formation is largely guided by the chemistry of unstable molecules that are reaction intermediates in terrestrial chemistry. Our knowledge of these intermediates is limited by both the lack of laboratory studies and the difficulty in their astronomical detection. In this work, we focus on the weakly bound cluster HO3 as an example of the connection between laboratory spectroscopic study and astronomical observations. Here, we present a fast-sweep spectroscopic technique in the millimeter and submillimeter range to facilitate the laboratory search for trans-HO3 and DO3 transitions in a discharge supersonic jet and report their rotational spectra from 70 to 450 GHz. These new measurements enable full determination of the molecular constants of HO3 and DO3. We also present a preliminary search for trans-HO3 in 32 star-forming regions using this new spectroscopic information. HO3 is not detected, and column density upper limits are reported. This work provides additional benchmark information for computational studies of this intriguing radical, as well as a reliable set of molecular constants for extrapolation of the transition frequencies of HO3 for future astronomical observations.

Global Optimization and Broadband Analysis Software for Interstellar Chemistry (GOBASIC)

Context. Broadband receivers that operate at millimeter and submillimeter frequencies necessitate the development of new tools for spectral analysis and interpretation. Simultaneous, global, multimolecule, multicomponent analysis is necessary to accurately determine the physical and chemical conditions from line-rich spectra that arise from sources like hot cores. Aims. We aim to provide a robust and efficient automated analysis program to meet the challenges presented with the large spectral datasets produced by radio telescopes. Methods. We have written a program in the MATLAB numerical computing environment for simultaneous global analysis of broadband line surveys. The Global Optimization and Broadband Analysis Software for Interstellar Chemistry (GOBASIC) program uses the simplifying assumption of local thermodynamic equilibrium (LTE) for spectral analysis to determine molecular column density, temperature, and velocity information. Results. GOBASIC achieves simultaneous, multimolecule, multicomponent fitting for broadband spectra. The number of components that can be analyzed at once is only limited by the available computational resources. Analysis of subsequent sets of molecules or components is performed iteratively while taking the previous fits into account. All features of a given molecule across the entire window are fitted at once, which is preferable to the rotation diagram approach because global analysis is less sensitive to blended features and noise features in the spectra. In addition, the fitting method used in GOBASIC is insensitive to the initial conditions chosen, the fitting is automated, and fitting can be performed in a parallel computing environment. These features make GOBASIC a valuable improvement over previously available LTE analysis methods.